AG00ABWI

193902-87-3 | 5-Amino-2-(4-Boc-piperazino)benzotrifluoride

AG00ABWI

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CAS Number	193902-87-3
Catalog Number	AG00ABWI(AGN-PC-01NTFI)
Chemical Name	5-Amino-2-(4-Boc-piperazino)benzotrifluoride
IUPAC Name	tert-butyl 4-[4-amino-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate
InChI	InChI=1S/C16H22F3N3O2/c1-15(2,3)24-14(23)22-8-6-21(7-9-22)13-5-4-11(20)10-12(13)16(17,18)19/h4-5,10H,6-9,20H2,1-3H3
InChI Key	PYQPVPBYELLURV-UHFFFAOYSA-N
MDL Number	MFCD04117868
Molecular Formula	C16H22F3N3O2
Molecular Weight	345.3600
SMILES	C(=O)(OC(C)(C)C)N1CCN(CC1)C2=C(C=C(C=C2)N)C(F)(F)F
Synonyms	193902-87-3, 1-Boc-4-(4-Amino-2-trifluoromethylphenyl)piperazine, tert-butyl 4-(4-amino-2-(trifluoromethyl)phenyl)piperazine-1-carboxylate, 4-(4-Boc-piperazin-1-yl)-3-trifluoromethylaniline, 4-(4-Amino-2-trifluoromethyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester, tert-butyl 4-[4-amino-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate, AK-16301, zlchem 1305, PubChem12197, SCHEMBL265716, CTK4E1378, DTXSID50592465, ZLE0080, C16H22F3N3O2, PYQPVPBYELLURV-UHFFFAOYSA-N, KS-000024HB, ZINC2529156, ANW-52206, MFCD04117868, RW3129, AKOS015836991, COR0002602, CS-W021302, DS-0034, IMED1738101081, QC-2755, ACM193902873, AJ-38393, BR-16301, EN000350, AB0023142, AX8090378, DB-001929, ST2415182, TR-009001, 4CH-015672, A4267, FT-0604260, W4142, 5-Amino-2-(4-BOC-piperazino)benzotrifluoride, A57457, S-3694, 4-(4-bocpieperazin-1-yl)-3-trifluoromethylaniline, I14-3787, tert-butyl 4-(4-amino-2-(trifluoromethyl)phenyl)piperazin-1-carboxylate, 1-Piperazinecarboxylicacid, 4-[4-amino-2-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl ester, 1-Piperazinecarboxylicacid,4-[4-amino-2-(trifluoromethyl)phenyl]-,1,1-dimethylethyl ester, 4-(4-AMINO-2-TRIFLUOROMETHYL-PHENYL)-PIPERAZINE-1-CARBOXYLICACIDTERT-BUTYLESTER, 4-(4-amino-2-trifluoromethylphenyl)piperazine-1-carboxylic acid tert-butyl ester, 4-(4-Amino-2-trifluoromethylphenyl)piperazine-1-. carboxylic acid tert-butyl ester,

Complexity	443
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	345.166g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	345.366g/mol
Monoisotopic Mass	345.166g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	58.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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